Sodium 5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronate (1:1)

CAS Registry Number®

129541-41-9

CAS Name

Sodium 5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronate (1:1)

Molecular Formula

C14H13BrClNO7.Na

Cite this Page

Sodium 5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129541-41-9 (retrieved 2024-11-23) (CAS RN: 129541-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13BrClNO7.Na/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;/h1-3,9-12,14,17-20H,(H,21,22);/t9-,10-,11+,12-,14+;/m0./s1

InChIKey

InChIKey=LGUWKXOPXWJLQX-CYRSAHDMSA-N

SMILES

O(C=1C=2C(NC1)=CC=C(Br)C2Cl)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O.[Na]

Canonical SMILES

[Na].O=C(O)C1OC(OC2=CNC=3C=CC(Br)=C(Cl)C23)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, sodium salt (1:1)
  • β-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, monosodium salt
  • Sodium 5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronate (1:1)

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